Geometry & MOs

Info

ID:	143612
PubChem CID:	53235010
Reduced:	S2N5O7C29H33 (1)
Stoich.:	A2B5C7D29E33 (1)
Weight, g/mol:	612.080713
ΔH_f, kcal/mol:	-175.51
Dipole, Da:	7.85
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonamido)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC(=C(C=C2)NCCSC3=CC=CC=C3)[N+](=O)[O-])NC(=O)C

DOS

IR

Vibrations